Recent Advances in Coupled-Cluster Methods

by Bartlett, Rodney J.

• ISBN13: 9789810231125
• ISBN10: 9810231121
• Format: Hardcover
• Copyright: 1997-09-01
• Publisher: WORLD SCIENTIFIC PUB CO INC

Table of Contents

Foreword	v	(2)
Author List	vii
CC-R12: An Explicitly Correlated Coupled-Cluster Theory	1	(48)
J. Noga
W. Klopper
W. Kutzelnigg
Analytic Evaluation Of Second Derivatives Of The Energy: Computational Strategies For The CCSD And CCSD(T) Approximations	49	(32)
J. F. Stanton
J. Gauss
Towards State-Specific Formulation Of Multireference Coupled-Cluster Theory: Coupled Electron Pair Approximations (CEPA) Leading To Multireference Configuration Interaction (MR-CI) Type Equations	81	(44)
P. G. Szalay
Relativistic Coupled Cluster: Method And Applications	125	(30)
U. Kaldor
A State-Specific Multi-Reference Coupled Cluster Approach For Treating Quasi-Degeneracy	155	(28)
U. S. Mahapatra
B. Datta
D. Mukherjee
Unitary Group Based Coupled Cluster Methods And Calculation Of Molecular Properties	183	(38)
X. Li
J. Paldus
Single Reference Coupled Cluster And Perturbation Theories Of Electronic Excitation Energies	221	(34)
M. Head-Gordon
T. J. Lee
Analytic Coupled Cluster Based Response Approach Using Multideterminantal Model Space	255	(20)
S. Pal
N. Vaval
Spin Adaptations In The Open Shell Coupled Cluster Theory With A Single Determinant Restricted Hartree-Fock Reference	275	(32)
M. Urban
P. Neogrady
I. Hubac
Multi-Reference Self-Consistent Size-Extensive Configuration Interaction (CI) -- A Bridge Between The Coupled-Cluster Method And The CI Method	307
L. Adamowicz
J. -P. Malrieu